Geometry & MOs

Info

ID:	355346
PubChem CID:	127288323
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	5.82
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CC(=O)NC3CCCCC3

DOS

IR

Vibrations